Error in backmapping from Martini3 #15
Description
Hi,
I am trying to backmap a Martini3 structure to all-atom.
However, in the first step of initram-v5.sh, when running backward.py, I get this error:
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('CB', None), ('CG', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('CD1', None), ('NE1', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('NE1', None), ('CD1', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE3', None), ('CE3', None), ('CD2', None), ('CE2', None)]
Not all positions defined for [trans] operation:
[('HZ2', None), ('CZ2', None), ('CE2', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HZ3', None), ('CZ3', None), ('CE3', None), ('CD2', None)]
Not all positions defined for [trans] operation:
[('HH2', None), ('CH2', None), ('CZ3', None), ('CE3', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HG1', None), ('OG1', None), ('CB', None), ('CA', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HZ', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('NH1', None), ('CZ', None), ('NE', None), ('HE', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
Not all positions defined for [trans] operation:
[('HD1', None), ('P', None), ('CE1', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HD2', None), ('Q', None), ('CE2', None), ('R', None)]
Not all positions defined for [trans] operation:
[('HE1', None), ('CE1', None), ('P', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('HE2', None), ('CE2', None), ('Q', None), ('CG', None)]
Not all positions defined for [trans] operation:
[('OH', None), ('R', None), ('CE1', None), ('P', None)]
Not all positions defined for [trans] operation:
[('HH', None), ('OH', None), ('R', None), ('CE1', None)]
I have the protein.gro, the protein.top, the backward.py, initram-v5.sh and Mapping folder in the folder, as indicated in the tutorial.
My system is only the protein, in force field Martini3, and want to backmap to charmm36. Does anyone have any suggestions for this issue?
Thank you!